2,6-ditert-butyl-4-(2-hydroxyethylamino)phenol

C16H27NO2 — CID 86228847

IUPAC2,6-ditert-butyl-4-(2-hydroxyethylamino)phenol
SMILESCC(C)(C)c1cc(NCCO)cc(C(C)(C)C)c1O
InChIInChI=1S/C16H27NO2/c1-15(2,3)12-9-11(17-7-8-18)10-13(14(12)19)16(4,5)6/h9-10,17-19H,7-8H2,1-6H3
InChIKeyGECRATXHVDQUDK-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.39
Rot. Bonds3

About 2,6-ditert-butyl-4-(2-hydroxyethylamino)phenol

2,6-ditert-butyl-4-(2-hydroxyethylamino)phenol (PubChem CID 86228847) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-(2-hydroxyethylamino)phenol.

Molecular Properties

Compound Name2,6-ditert-butyl-4-(2-hydroxyethylamino)phenol
PubChem CID86228847
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name2,6-ditert-butyl-4-(2-hydroxyethylamino)phenol
SMILESCC(C)(C)c1cc(NCCO)cc(C(C)(C)C)c1O
InChIInChI=1S/C16H27NO2/c1-15(2,3)12-9-11(17-7-8-18)10-13(14(12)19)16(4,5)6/h9-10,17-19H,7-8H2,1-6H3
InChIKeyGECRATXHVDQUDK-UHFFFAOYSA-N
XLogP3.39
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-(2-hydroxyethylamino)phenol?
The IUPAC name of 2,6-ditert-butyl-4-(2-hydroxyethylamino)phenol (CID 86228847) is 2,6-ditert-butyl-4-(2-hydroxyethylamino)phenol.
What is the SMILES notation for 2,6-ditert-butyl-4-(2-hydroxyethylamino)phenol?
The canonical SMILES for 2,6-ditert-butyl-4-(2-hydroxyethylamino)phenol is CC(C)(C)c1cc(NCCO)cc(C(C)(C)C)c1O.
What is the InChIKey of 2,6-ditert-butyl-4-(2-hydroxyethylamino)phenol?
The InChIKey is GECRATXHVDQUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-15(2,3)12-9-11(17-7-8-18)10-13(14(12)19)16(4,5)6/h9-10,17-19H,7-8H2,1-6H3.
What are the key properties of 2,6-ditert-butyl-4-(2-hydroxyethylamino)phenol?
2,6-ditert-butyl-4-(2-hydroxyethylamino)phenol has a molecular weight of 265.40 g/mol, XLogP of 3.39, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-4-(2-hydroxyethylamino)phenol is sourced from PubChem (CID 86228847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).